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	hartrees
Energy at 0K	-4836.145093
Energy at 298.15K	-4836.141045
HF Energy	-4836.145093
Nuclear repulsion energy	310.190480

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	406	386	0.00
2	Σ_u	1433	1361	533.46
3	Π_u	359	341	5.32
3	Π_u	359	341	5.32

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
Se2	0.000	0.000	1.682
Se3	0.000	0.000	-1.682

	C1	Se2	Se3
C1		1.6821	1.6821
Se2	1.6821		3.3642
Se3	1.6821	3.3642

Number	Element	Mulliken
1	C	0.101
2	Se	-0.051
3	Se	-0.051

All results from a given calculation for CSe₂ (Carbon diselenide)

using model chemistry: PBE1PBE/6-31G*

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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<r²>	217.453
(<r²>)^1/2	14.746

All results from a given calculation for CSe2 (Carbon diselenide)

using model chemistry: PBE1PBE/6-31G*

States and conformations

All results from a given calculation for CSe₂ (Carbon diselenide)